2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine

C17H23N3 — CID 114705914

IUPAC2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
SMILESCC(Cc1ccccc1)n1cncc1C1CCCCN1
InChIInChI=1S/C17H23N3/c1-14(11-15-7-3-2-4-8-15)20-13-18-12-17(20)16-9-5-6-10-19-16/h2-4,7-8,12-14,16,19H,5-6,9-11H2,1H3
InChIKeyBBNQTUWTSQGTNH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.50
Rot. Bonds4

About 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine

2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine (PubChem CID 114705914) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
PubChem CID114705914
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
SMILESCC(Cc1ccccc1)n1cncc1C1CCCCN1
InChIInChI=1S/C17H23N3/c1-14(11-15-7-3-2-4-8-15)20-13-18-12-17(20)16-9-5-6-10-19-16/h2-4,7-8,12-14,16,19H,5-6,9-11H2,1H3
InChIKeyBBNQTUWTSQGTNH-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
2-(3-octan-4-ylimidazol-4-yl)piperidine
CID 106022201
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine (CID 114705914) is 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine is CC(Cc1ccccc1)n1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine?
The InChIKey is BBNQTUWTSQGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(11-15-7-3-2-4-8-15)20-13-18-12-17(20)16-9-5-6-10-19-16/h2-4,7-8,12-14,16,19H,5-6,9-11H2,1H3.
What are the key properties of 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine?
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114705914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).